[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O5/c1-12-3-4-18(25)17(5-12)20(27)29-13(2)19(26)23-21(28)24-22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,13-16,25H,6-11H2,1-2H3,(H2,23,24,26,28)